4-{[(2S)-2-{3-[6-(Cyclohexyloxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid
12953
Reference
4-{[(2S)-2-{3-[6-(Cyclohexyloxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid Structure
Systematic / IUPAC Name: 4-[[(2S)-2-[3-(6-Cyclohexyloxypyridin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference12953
Other Names: NAT18-432685
Formula: C25H28N4O4
Spectral Data
4-{[(2S)-2-{3-[6-(Cyclohexyloxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl}-1-pyrrolidinyl]methyl}benzoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1878 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/5/2024 10:21:03 AM |
Identificators
| InChI | InChI=1S/C25H28N4O4/c30-25(31)18-10-8-17(9-11-18)16-29-14-4-7-21(29)24-27-23(28-33-24)19-12-13-22(26-15-19)32-20-5-2-1-3-6-20/h8-13,15,20-21H,1-7,14,16H2,(H,30,31)/t21-/m0/s1 |
| InChI Key | MHXZZPOHVSIQPY-NRFANRHFSA-N |
| Canonical SMILES | C1CCC(CC1)OC2=NC=C(C=C2)C3=NOC(=N3)C4CCCN4CC5=CC=C(C=C5)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT18-432685 |